Binding information for 3m8u_ligand_3_520.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m8u_ligand_3_520.mol2 | 3m8u | 1 | -5.39 | S(SC)C | 4 |
Structure and binding mode of 3m8u_ligand_3_520.mol2(FDBF00093)
Important binding residues for 3m8u_ligand_3_520.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m8u | GLY520 | -0.64 | -0.94 | -1.58 | 1.24 | -0.34 |
| 3m8u | TYR521 | -1.64 | 0.16 | -1.48 | 0.68 | -0.80 |
